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We present a purely numerical approach in Cartesian grid, for efficient computation of Hartree-Fock (HF) exchange contribution in the HF and density functional theory models. This takes inspiration from a recently developed algorithm [Liu…

Chemical Physics · Physics 2019-04-05 Abhisek Ghosal , Tanmay Mandal , Amlan K. Roy

We develop a new systematic approach to quantum field theory that is designed to lead to physical states that rapidly converge in an expansion in free-particle Fock-space sectors. To make this possible, we use light-front field theory to…

High Energy Physics - Theory · Physics 2009-09-25 Brent H. Allen

We propose a new treatment for the quantum three-body problem. It is based on an expansion of the wave function on harmonic oscillator functions with different sizes in the Jacobi coordinates. The matrix elements of the Hamiltonian can be…

Quantum Physics · Physics 2020-04-17 B. Silvestre-Brac , R. Bonnaz , C. Semay , F. Brau

A many-body wave function is approximated by a product of two functions: the wave function $\phi$ depending on the particle coordinates and the function $\chi$ depending only on the value of interparticle interaction potential. For the…

Quantum Physics · Physics 2008-09-10 V. M. Tapilin

We present the implementation of a variational finite element solver in the HelFEM program for benchmark calculations on diatomic systems. A basis set of the form $\chi_{nlm}(\mu,\nu,\phi)=B_{n}(\mu)Y_{l}^{m}(\nu,\phi)$ is used, where…

Chemical Physics · Physics 2019-08-19 Susi Lehtola

We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Y. Alhassid , H. A. Weidenmueller , A. Wobst

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems.…

Chemical Physics · Physics 2014-04-22 Srikant Veeraraghavan , David A. Mazziotti

Using a separable many-body variational wavefunction, we formulate a self-consistent effective Hamiltonian theory for fermionic many-body system. The theory is applied to the two-dimensional Hubbard model as an example to demonstrate its…

Strongly Correlated Electrons · Physics 2019-10-29 Xindong Wang , Hai-Ping Cheng

One of the most significant discrete invariants of a quadratic form $\phi$ over a field $k$ is its (full) splitting pattern, a finite sequence of integers which describes the possible isotropy behaviour of $\phi$ under scalar extension to…

Number Theory · Mathematics 2016-08-03 Stephen Scully

The nucleon form factors are calculated using a non-relativistic description in terms of constituent quarks. The emphasis is put on the reliability of present numerical methods used to solve the three-body problem in order to correctly…

Nuclear Theory · Physics 2009-10-31 B. Desplanques , B. Silvestre-Brac , F. Cano , P. Gonzalez , S. Noguera

Hamiltonian light-front quantum field theory constitutes a framework for the non-perturbative solution of invariant masses and correlated parton amplitudes of self-bound systems. By choosing the light-front gauge and adopting a basis…

We have developed a new Hartree-Fock-Bogoliubov (HFB) code which has been specifically designed to study ground state properties of nuclei near the neutron and proton drip lines. The unique feature of our code is that it takes into account…

Nuclear Theory · Physics 2007-05-23 V. E. Oberacker , A. S. Umar , E. Teran

Background: The Hartree-Fock mean-field approximation is standard in combination with energy density functionals (EDF) that account for some dynamical correlations. Breaking and restoring the symmetries of the system allow for the inclusion…

Nuclear Theory · Physics 2023-11-20 Joshua Cesca , Cédric Simenel

The two-basis method to solve the HFB for deformed nuclei in coordinate space is examined concerning the precision of the density tail. Small cutoff energies are shown to give rise to ripples in the tail, whose wave length corresponds to…

Nuclear Theory · Physics 2007-05-23 Naoki Tajima

We present a density matrix approach for computing global solutions of Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the upper- and…

Chemical Physics · Physics 2014-02-11 Srikant Veeraraghavan , David A. Mazziotti

We develop a modified semi-classical approach to the approximate solution of Schrodinger's equation for certain nonlinear quantum oscillations problems. At lowest order, the Hamilton-Jacobi equation of the conventional semi-classical…

Mathematical Physics · Physics 2015-06-03 Vincent Moncrief , Antonella Marini , Rachel Maitra

We present a wavenumber-explicit convergence analysis of the hp finite element method applied to a class of heterogeneous Helmholtz problems with piecewise analytic coefficients at large wavenumber $k$. Our analysis covers the heterogeneous…

Numerical Analysis · Mathematics 2024-02-05 M. Bernkopf , T. Chaumont-Frelet , J. M. Melenk

A systematic study of 160 heavy and super-heavy nuclei is performed in the Hartree-Fock-Bogoliubov approach with the finite range and density dependent Gogny force with the D1S parameter set. We show calculations in several approximations:…

Nuclear Theory · Physics 2015-06-04 M. Warda , J. L. Egido

A relativistic equation is deduced for the bound state of two particles, by assuming a proper boundary condition for the propagation of the negative-energy states. It reduces to the (one-body)Dirac equation in the infinite limit of one of…

High Energy Physics - Phenomenology · Physics 2016-09-06 Hitoshi Ito

Wigner molecules formed at high magnetic fields in circular and elliptic quantum dots are studied by exact diagonalization (ED) and unrestricted Hartree-Fock (UHF) methods with multicenter basis of displaced lowest Landau level wave…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 B. Szafran , F. M. Peeters , S. Bednarek , J. Adamowski